USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 646 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1AGLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1BSER OG : rot 180:sc= 0 USER MOD Single : A 1CMET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 19:sc= 0.455 USER MOD Single : A 7 GLN : amide:sc= -2.94! X(o=-2.9!,f=-2.5) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 144:sc= 0.111 USER MOD Single : A 15 LYS NZ :NH3+ 164:sc= -0.0118 (180deg=-0.243) USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0373) USER MOD Single : A 25 HIS : no HE2:sc= -1.35 K(o=-1.4,f=-3.8!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.45 K(o=-0.45,f=-7.1!) USER MOD Single : A 34 LYS NZ :NH3+ -151:sc= -0.104 (180deg=-0.585) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.121 F(o=-1.6,f=-0.12) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.54 K(o=-2.5,f=-3.2) USER MOD Single : A 62 THR OG1 : rot 149:sc= 0.564 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.318 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.248 USER MOD Single : A 80 LYS NZ :NH3+ -131:sc= -0.216 (180deg=-1.09) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1A 9.253 -1.114 -25.797 1.00 0.00 N ATOM 2 CA GLY A 1A 10.639 -1.437 -26.238 1.00 0.00 C ATOM 3 C GLY A 1A 11.554 -1.590 -25.020 1.00 0.00 C ATOM 4 O GLY A 1A 12.098 -2.650 -24.780 1.00 0.00 O ATOM 0 H1 GLY A 1A 8.639 -1.012 -26.630 1.00 0.00 H new ATOM 0 H2 GLY A 1A 8.893 -1.881 -25.193 1.00 0.00 H new ATOM 0 H3 GLY A 1A 9.258 -0.224 -25.260 1.00 0.00 H new ATOM 0 HA2 GLY A 1A 10.639 -2.358 -26.821 1.00 0.00 H new ATOM 0 HA3 GLY A 1A 11.015 -0.648 -26.889 1.00 0.00 H new ATOM 10 N SER A 1B 11.690 -0.511 -24.291 1.00 0.00 N ATOM 11 CA SER A 1B 12.590 -0.485 -23.095 1.00 0.00 C ATOM 12 C SER A 1B 12.062 0.516 -22.060 1.00 0.00 C ATOM 13 O SER A 1B 12.457 0.471 -20.911 1.00 0.00 O ATOM 14 CB SER A 1B 14.018 -0.084 -23.557 1.00 0.00 C ATOM 15 OG SER A 1B 14.775 -1.290 -23.531 1.00 0.00 O ATOM 0 H SER A 1B 11.208 0.368 -24.477 1.00 0.00 H new ATOM 0 HA SER A 1B 12.619 -1.470 -22.630 1.00 0.00 H new ATOM 0 HB2 SER A 1B 14.001 0.348 -24.558 1.00 0.00 H new ATOM 0 HB3 SER A 1B 14.450 0.666 -22.894 1.00 0.00 H new ATOM 0 HG SER A 1B 15.694 -1.105 -23.816 1.00 0.00 H new ATOM 21 N MET A 1C 11.187 1.388 -22.498 1.00 0.00 N ATOM 22 CA MET A 1C 10.576 2.395 -21.575 1.00 0.00 C ATOM 23 C MET A 1C 9.780 1.706 -20.456 1.00 0.00 C ATOM 24 O MET A 1C 9.701 2.217 -19.355 1.00 0.00 O ATOM 25 CB MET A 1C 9.638 3.308 -22.375 1.00 0.00 C ATOM 26 CG MET A 1C 10.444 4.242 -23.305 1.00 0.00 C ATOM 27 SD MET A 1C 9.554 5.033 -24.670 1.00 0.00 S ATOM 28 CE MET A 1C 8.333 5.987 -23.729 1.00 0.00 C ATOM 0 H MET A 1C 10.867 1.446 -23.465 1.00 0.00 H new ATOM 0 HA MET A 1C 11.376 2.979 -21.120 1.00 0.00 H new ATOM 0 HB2 MET A 1C 8.951 2.703 -22.966 1.00 0.00 H new ATOM 0 HB3 MET A 1C 9.032 3.903 -21.692 1.00 0.00 H new ATOM 0 HG2 MET A 1C 10.886 5.027 -22.692 1.00 0.00 H new ATOM 0 HG3 MET A 1C 11.267 3.667 -23.729 1.00 0.00 H new ATOM 0 HE1 MET A 1C 7.695 6.541 -24.418 1.00 0.00 H new ATOM 0 HE2 MET A 1C 7.722 5.309 -23.133 1.00 0.00 H new ATOM 0 HE3 MET A 1C 8.847 6.686 -23.069 1.00 0.00 H new ATOM 38 N SER A 2 9.216 0.567 -20.774 1.00 0.00 N ATOM 39 CA SER A 2 8.524 -0.261 -19.739 1.00 0.00 C ATOM 40 C SER A 2 9.510 -0.786 -18.691 1.00 0.00 C ATOM 41 O SER A 2 10.646 -1.099 -19.002 1.00 0.00 O ATOM 42 CB SER A 2 7.825 -1.451 -20.420 1.00 0.00 C ATOM 43 OG SER A 2 6.934 -0.859 -21.356 1.00 0.00 O ATOM 0 H SER A 2 9.206 0.172 -21.715 1.00 0.00 H new ATOM 0 HA SER A 2 7.792 0.370 -19.234 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.545 -2.102 -20.916 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.288 -2.063 -19.695 1.00 0.00 H new ATOM 0 HG SER A 2 6.448 -1.562 -21.835 1.00 0.00 H new ATOM 49 N ALA A 3 9.029 -0.863 -17.476 1.00 0.00 N ATOM 50 CA ALA A 3 9.842 -1.430 -16.355 1.00 0.00 C ATOM 51 C ALA A 3 9.959 -2.959 -16.479 1.00 0.00 C ATOM 52 O ALA A 3 9.457 -3.558 -17.411 1.00 0.00 O ATOM 53 CB ALA A 3 9.168 -1.060 -15.013 1.00 0.00 C ATOM 0 H ALA A 3 8.095 -0.553 -17.209 1.00 0.00 H new ATOM 0 HA ALA A 3 10.848 -1.012 -16.397 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.752 -1.468 -14.188 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.116 0.025 -14.919 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.161 -1.476 -14.985 1.00 0.00 H new ATOM 59 N GLU A 4 10.628 -3.528 -15.511 1.00 0.00 N ATOM 60 CA GLU A 4 10.813 -5.015 -15.437 1.00 0.00 C ATOM 61 C GLU A 4 9.545 -5.719 -14.910 1.00 0.00 C ATOM 62 O GLU A 4 9.336 -6.888 -15.174 1.00 0.00 O ATOM 63 CB GLU A 4 12.029 -5.343 -14.498 1.00 0.00 C ATOM 64 CG GLU A 4 12.205 -4.311 -13.344 1.00 0.00 C ATOM 65 CD GLU A 4 10.894 -4.152 -12.548 1.00 0.00 C ATOM 66 OE1 GLU A 4 10.511 -5.130 -11.926 1.00 0.00 O ATOM 67 OE2 GLU A 4 10.344 -3.063 -12.606 1.00 0.00 O ATOM 0 H GLU A 4 11.067 -3.014 -14.747 1.00 0.00 H new ATOM 0 HA GLU A 4 11.007 -5.384 -16.444 1.00 0.00 H new ATOM 0 HB2 GLU A 4 11.893 -6.337 -14.071 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.942 -5.373 -15.093 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.003 -4.637 -12.677 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.506 -3.347 -13.755 1.00 0.00 H new ATOM 74 N GLY A 5 8.745 -4.979 -14.182 1.00 0.00 N ATOM 75 CA GLY A 5 7.514 -5.544 -13.553 1.00 0.00 C ATOM 76 C GLY A 5 6.271 -5.230 -14.389 1.00 0.00 C ATOM 77 O GLY A 5 6.363 -4.978 -15.576 1.00 0.00 O ATOM 0 H GLY A 5 8.898 -3.988 -13.995 1.00 0.00 H new ATOM 0 HA2 GLY A 5 7.620 -6.624 -13.446 1.00 0.00 H new ATOM 0 HA3 GLY A 5 7.394 -5.134 -12.550 1.00 0.00 H new ATOM 81 N TYR A 6 5.148 -5.264 -13.716 1.00 0.00 N ATOM 82 CA TYR A 6 3.822 -4.979 -14.365 1.00 0.00 C ATOM 83 C TYR A 6 3.387 -3.552 -14.015 1.00 0.00 C ATOM 84 O TYR A 6 3.636 -3.096 -12.914 1.00 0.00 O ATOM 85 CB TYR A 6 2.735 -5.988 -13.856 1.00 0.00 C ATOM 86 CG TYR A 6 3.348 -7.177 -13.092 1.00 0.00 C ATOM 87 CD1 TYR A 6 4.091 -8.128 -13.762 1.00 0.00 C ATOM 88 CD2 TYR A 6 3.162 -7.315 -11.728 1.00 0.00 C ATOM 89 CE1 TYR A 6 4.638 -9.194 -13.082 1.00 0.00 C ATOM 90 CE2 TYR A 6 3.707 -8.382 -11.047 1.00 0.00 C ATOM 91 CZ TYR A 6 4.449 -9.331 -11.720 1.00 0.00 C ATOM 92 OH TYR A 6 4.997 -10.401 -11.042 1.00 0.00 O ATOM 0 H TYR A 6 5.089 -5.482 -12.721 1.00 0.00 H new ATOM 0 HA TYR A 6 3.926 -5.087 -15.445 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.034 -5.465 -13.206 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.164 -6.362 -14.706 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.245 -8.036 -14.827 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.583 -6.578 -11.191 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.220 -9.929 -13.618 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.553 -8.476 -9.982 1.00 0.00 H new ATOM 0 HH TYR A 6 5.718 -10.793 -11.577 1.00 0.00 H new ATOM 102 N GLN A 7 2.754 -2.890 -14.957 1.00 0.00 N ATOM 103 CA GLN A 7 2.466 -1.425 -14.786 1.00 0.00 C ATOM 104 C GLN A 7 0.994 -1.077 -15.038 1.00 0.00 C ATOM 105 O GLN A 7 0.241 -1.847 -15.607 1.00 0.00 O ATOM 106 CB GLN A 7 3.357 -0.626 -15.755 1.00 0.00 C ATOM 107 CG GLN A 7 4.793 -0.556 -15.189 1.00 0.00 C ATOM 108 CD GLN A 7 5.810 -0.706 -16.325 1.00 0.00 C ATOM 109 OE1 GLN A 7 6.336 -1.774 -16.571 1.00 0.00 O ATOM 110 NE2 GLN A 7 6.115 0.343 -17.038 1.00 0.00 N ATOM 0 H GLN A 7 2.425 -3.297 -15.833 1.00 0.00 H new ATOM 0 HA GLN A 7 2.683 -1.164 -13.750 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.363 -1.100 -16.736 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.957 0.379 -15.890 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.945 0.394 -14.676 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.941 -1.344 -14.451 1.00 0.00 H new ATOM 0 HE21 GLN A 7 5.677 1.242 -16.836 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.792 0.264 -17.797 1.00 0.00 H new ATOM 119 N TYR A 8 0.653 0.102 -14.583 1.00 0.00 N ATOM 120 CA TYR A 8 -0.747 0.618 -14.671 1.00 0.00 C ATOM 121 C TYR A 8 -0.680 2.105 -15.059 1.00 0.00 C ATOM 122 O TYR A 8 0.091 2.849 -14.485 1.00 0.00 O ATOM 123 CB TYR A 8 -1.442 0.468 -13.296 1.00 0.00 C ATOM 124 CG TYR A 8 -1.580 -1.011 -12.890 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.485 -1.712 -12.424 1.00 0.00 C ATOM 126 CD2 TYR A 8 -2.797 -1.660 -12.977 1.00 0.00 C ATOM 127 CE1 TYR A 8 -0.601 -3.034 -12.053 1.00 0.00 C ATOM 128 CE2 TYR A 8 -2.911 -2.985 -12.605 1.00 0.00 C ATOM 129 CZ TYR A 8 -1.813 -3.683 -12.140 1.00 0.00 C ATOM 130 OH TYR A 8 -1.925 -5.007 -11.764 1.00 0.00 O ATOM 0 H TYR A 8 1.308 0.747 -14.141 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.315 0.057 -15.414 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.869 1.002 -12.538 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -2.429 0.929 -13.334 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.473 -1.219 -12.350 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.664 -1.128 -13.338 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.266 -3.566 -11.691 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.868 -3.481 -12.678 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.850 -5.305 -11.889 1.00 0.00 H new ATOM 140 N ARG A 9 -1.488 2.497 -16.015 1.00 0.00 N ATOM 141 CA ARG A 9 -1.620 3.945 -16.367 1.00 0.00 C ATOM 142 C ARG A 9 -2.746 4.563 -15.536 1.00 0.00 C ATOM 143 O ARG A 9 -3.902 4.224 -15.693 1.00 0.00 O ATOM 144 CB ARG A 9 -1.942 4.088 -17.883 1.00 0.00 C ATOM 145 CG ARG A 9 -0.659 4.484 -18.655 1.00 0.00 C ATOM 146 CD ARG A 9 -0.981 4.640 -20.161 1.00 0.00 C ATOM 147 NE ARG A 9 -1.090 6.096 -20.484 1.00 0.00 N ATOM 148 CZ ARG A 9 -0.895 6.516 -21.707 1.00 0.00 C ATOM 149 NH1 ARG A 9 -1.688 6.112 -22.661 1.00 0.00 N ATOM 150 NH2 ARG A 9 0.092 7.335 -21.937 1.00 0.00 N ATOM 0 H ARG A 9 -2.067 1.868 -16.572 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.684 4.462 -16.153 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.336 3.149 -18.271 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.714 4.843 -18.031 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.260 5.418 -18.260 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.110 3.724 -18.515 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.199 4.178 -20.764 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.913 4.129 -20.402 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.317 6.764 -19.748 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.454 5.473 -22.451 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.542 6.436 -23.617 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.694 7.636 -21.171 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.262 7.675 -22.883 1.00 0.00 H new ATOM 164 N ALA A 10 -2.351 5.457 -14.667 1.00 0.00 N ATOM 165 CA ALA A 10 -3.338 6.347 -13.985 1.00 0.00 C ATOM 166 C ALA A 10 -4.212 7.091 -15.007 1.00 0.00 C ATOM 167 O ALA A 10 -3.711 7.718 -15.921 1.00 0.00 O ATOM 168 CB ALA A 10 -2.578 7.363 -13.112 1.00 0.00 C ATOM 0 H ALA A 10 -1.379 5.610 -14.398 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.992 5.734 -13.365 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.291 8.017 -12.610 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.986 6.832 -12.367 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.918 7.961 -13.740 1.00 0.00 H new ATOM 174 N LEU A 11 -5.501 6.985 -14.799 1.00 0.00 N ATOM 175 CA LEU A 11 -6.506 7.589 -15.726 1.00 0.00 C ATOM 176 C LEU A 11 -7.080 8.861 -15.083 1.00 0.00 C ATOM 177 O LEU A 11 -6.792 9.958 -15.522 1.00 0.00 O ATOM 178 CB LEU A 11 -7.621 6.531 -15.991 1.00 0.00 C ATOM 179 CG LEU A 11 -7.809 6.326 -17.515 1.00 0.00 C ATOM 180 CD1 LEU A 11 -8.724 5.084 -17.754 1.00 0.00 C ATOM 181 CD2 LEU A 11 -8.443 7.613 -18.138 1.00 0.00 C ATOM 0 H LEU A 11 -5.908 6.492 -14.004 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.051 7.867 -16.676 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.355 5.585 -15.519 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.558 6.859 -15.542 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.846 6.149 -17.994 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.861 4.934 -18.825 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.258 4.200 -17.320 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.693 5.250 -17.284 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.576 7.471 -19.210 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.411 7.803 -17.674 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.784 8.464 -17.964 1.00 0.00 H new ATOM 193 N TYR A 12 -7.875 8.670 -14.058 1.00 0.00 N ATOM 194 CA TYR A 12 -8.567 9.813 -13.390 1.00 0.00 C ATOM 195 C TYR A 12 -7.698 10.362 -12.256 1.00 0.00 C ATOM 196 O TYR A 12 -6.992 9.617 -11.600 1.00 0.00 O ATOM 197 CB TYR A 12 -9.910 9.317 -12.835 1.00 0.00 C ATOM 198 CG TYR A 12 -10.919 9.241 -13.989 1.00 0.00 C ATOM 199 CD1 TYR A 12 -11.649 10.356 -14.348 1.00 0.00 C ATOM 200 CD2 TYR A 12 -11.109 8.062 -14.682 1.00 0.00 C ATOM 201 CE1 TYR A 12 -12.554 10.296 -15.385 1.00 0.00 C ATOM 202 CE2 TYR A 12 -12.015 7.999 -15.719 1.00 0.00 C ATOM 203 CZ TYR A 12 -12.742 9.116 -16.077 1.00 0.00 C ATOM 204 OH TYR A 12 -13.648 9.053 -17.117 1.00 0.00 O ATOM 0 H TYR A 12 -8.075 7.756 -13.651 1.00 0.00 H new ATOM 0 HA TYR A 12 -8.739 10.614 -14.109 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.790 8.337 -12.373 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.272 9.993 -12.060 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -11.510 11.283 -13.812 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.544 7.183 -14.410 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -13.119 11.175 -15.658 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -12.156 7.071 -16.254 1.00 0.00 H new ATOM 0 HH TYR A 12 -13.652 8.148 -17.493 1.00 0.00 H new ATOM 214 N ASP A 13 -7.781 11.654 -12.063 1.00 0.00 N ATOM 215 CA ASP A 13 -7.025 12.316 -10.957 1.00 0.00 C ATOM 216 C ASP A 13 -7.533 11.832 -9.594 1.00 0.00 C ATOM 217 O ASP A 13 -8.714 11.915 -9.314 1.00 0.00 O ATOM 218 CB ASP A 13 -7.204 13.849 -11.065 1.00 0.00 C ATOM 219 CG ASP A 13 -5.839 14.514 -11.320 1.00 0.00 C ATOM 220 OD1 ASP A 13 -5.020 14.436 -10.418 1.00 0.00 O ATOM 221 OD2 ASP A 13 -5.691 15.061 -12.399 1.00 0.00 O ATOM 0 H ASP A 13 -8.347 12.285 -12.631 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.969 12.059 -11.045 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.893 14.088 -11.875 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.644 14.239 -10.147 1.00 0.00 H new ATOM 226 N TYR A 14 -6.618 11.339 -8.800 1.00 0.00 N ATOM 227 CA TYR A 14 -6.941 10.923 -7.401 1.00 0.00 C ATOM 228 C TYR A 14 -5.961 11.592 -6.433 1.00 0.00 C ATOM 229 O TYR A 14 -4.766 11.590 -6.656 1.00 0.00 O ATOM 230 CB TYR A 14 -6.846 9.382 -7.351 1.00 0.00 C ATOM 231 CG TYR A 14 -6.712 8.814 -5.918 1.00 0.00 C ATOM 232 CD1 TYR A 14 -7.826 8.514 -5.157 1.00 0.00 C ATOM 233 CD2 TYR A 14 -5.461 8.585 -5.378 1.00 0.00 C ATOM 234 CE1 TYR A 14 -7.687 7.992 -3.885 1.00 0.00 C ATOM 235 CE2 TYR A 14 -5.320 8.064 -4.109 1.00 0.00 C ATOM 236 CZ TYR A 14 -6.433 7.763 -3.351 1.00 0.00 C ATOM 237 OH TYR A 14 -6.293 7.238 -2.082 1.00 0.00 O ATOM 0 H TYR A 14 -5.643 11.205 -9.067 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.943 11.232 -7.104 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.733 8.957 -7.820 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.988 9.060 -7.942 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.813 8.689 -5.560 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.580 8.818 -5.958 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.567 7.761 -3.303 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.333 7.891 -3.706 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.519 6.637 -2.060 1.00 0.00 H new ATOM 247 N LYS A 15 -6.515 12.143 -5.384 1.00 0.00 N ATOM 248 CA LYS A 15 -5.705 12.767 -4.304 1.00 0.00 C ATOM 249 C LYS A 15 -5.390 11.694 -3.256 1.00 0.00 C ATOM 250 O LYS A 15 -6.061 10.682 -3.197 1.00 0.00 O ATOM 251 CB LYS A 15 -6.535 13.903 -3.703 1.00 0.00 C ATOM 252 CG LYS A 15 -6.149 15.245 -4.356 1.00 0.00 C ATOM 253 CD LYS A 15 -7.267 16.282 -4.092 1.00 0.00 C ATOM 254 CE LYS A 15 -6.942 17.601 -4.820 1.00 0.00 C ATOM 255 NZ LYS A 15 -7.020 17.413 -6.297 1.00 0.00 N ATOM 0 H LYS A 15 -7.523 12.185 -5.231 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.764 13.170 -4.678 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.597 13.708 -3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.371 13.953 -2.627 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.203 15.602 -3.949 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.005 15.113 -5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.225 15.893 -4.437 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.363 16.462 -3.021 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.641 18.377 -4.509 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.944 17.940 -4.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.069 18.341 -6.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.175 16.904 -6.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.870 16.862 -6.532 1.00 0.00 H new ATOM 269 N LYS A 16 -4.388 11.954 -2.456 1.00 0.00 N ATOM 270 CA LYS A 16 -4.006 10.983 -1.376 1.00 0.00 C ATOM 271 C LYS A 16 -4.783 11.288 -0.090 1.00 0.00 C ATOM 272 O LYS A 16 -5.297 12.378 0.080 1.00 0.00 O ATOM 273 CB LYS A 16 -2.484 11.097 -1.110 1.00 0.00 C ATOM 274 CG LYS A 16 -2.108 12.463 -0.463 1.00 0.00 C ATOM 275 CD LYS A 16 -2.086 12.337 1.092 1.00 0.00 C ATOM 276 CE LYS A 16 -0.643 12.385 1.617 1.00 0.00 C ATOM 277 NZ LYS A 16 -0.095 13.766 1.500 1.00 0.00 N ATOM 0 H LYS A 16 -3.815 12.797 -2.501 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.250 9.970 -1.697 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.168 10.286 -0.454 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.942 10.978 -2.048 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.131 12.787 -0.822 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.827 13.225 -0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.668 13.145 1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.558 11.402 1.393 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.617 12.063 2.658 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.020 11.691 1.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.793 13.834 2.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.088 13.983 0.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.783 14.446 1.882 1.00 0.00 H new ATOM 291 N GLU A 17 -4.839 10.307 0.777 1.00 0.00 N ATOM 292 CA GLU A 17 -5.563 10.463 2.074 1.00 0.00 C ATOM 293 C GLU A 17 -4.581 10.761 3.201 1.00 0.00 C ATOM 294 O GLU A 17 -4.745 11.691 3.967 1.00 0.00 O ATOM 295 CB GLU A 17 -6.324 9.175 2.363 1.00 0.00 C ATOM 296 CG GLU A 17 -7.821 9.454 2.163 1.00 0.00 C ATOM 297 CD GLU A 17 -8.406 10.122 3.428 1.00 0.00 C ATOM 298 OE1 GLU A 17 -8.827 9.374 4.297 1.00 0.00 O ATOM 299 OE2 GLU A 17 -8.396 11.342 3.450 1.00 0.00 O ATOM 0 H GLU A 17 -4.408 9.393 0.638 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.260 11.298 2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.992 8.379 1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.132 8.839 3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.967 10.102 1.299 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.349 8.523 1.956 1.00 0.00 H new ATOM 306 N ARG A 18 -3.586 9.925 3.237 1.00 0.00 N ATOM 307 CA ARG A 18 -2.526 10.013 4.287 1.00 0.00 C ATOM 308 C ARG A 18 -1.189 9.490 3.744 1.00 0.00 C ATOM 309 O ARG A 18 -1.028 9.319 2.551 1.00 0.00 O ATOM 310 CB ARG A 18 -2.996 9.186 5.520 1.00 0.00 C ATOM 311 CG ARG A 18 -3.340 7.732 5.102 1.00 0.00 C ATOM 312 CD ARG A 18 -3.641 6.883 6.347 1.00 0.00 C ATOM 313 NE ARG A 18 -5.122 6.813 6.519 1.00 0.00 N ATOM 314 CZ ARG A 18 -5.618 6.354 7.635 1.00 0.00 C ATOM 315 NH1 ARG A 18 -5.678 7.143 8.671 1.00 0.00 N ATOM 316 NH2 ARG A 18 -6.040 5.121 7.679 1.00 0.00 N ATOM 0 H ARG A 18 -3.456 9.165 2.569 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.370 11.051 4.582 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.213 9.177 6.278 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.870 9.658 5.970 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.202 7.731 4.434 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.508 7.298 4.548 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.224 5.882 6.234 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.177 7.324 7.229 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.742 7.122 5.770 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.340 8.103 8.601 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.063 6.800 9.551 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.979 4.531 6.849 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.431 4.746 8.544 1.00 0.00 H new ATOM 330 N GLU A 19 -0.273 9.255 4.649 1.00 0.00 N ATOM 331 CA GLU A 19 1.060 8.656 4.307 1.00 0.00 C ATOM 332 C GLU A 19 0.977 7.235 3.688 1.00 0.00 C ATOM 333 O GLU A 19 1.996 6.627 3.418 1.00 0.00 O ATOM 334 CB GLU A 19 1.915 8.617 5.599 1.00 0.00 C ATOM 335 CG GLU A 19 1.141 7.886 6.727 1.00 0.00 C ATOM 336 CD GLU A 19 2.136 7.414 7.800 1.00 0.00 C ATOM 337 OE1 GLU A 19 2.770 6.402 7.543 1.00 0.00 O ATOM 338 OE2 GLU A 19 2.208 8.088 8.816 1.00 0.00 O ATOM 0 H GLU A 19 -0.395 9.459 5.641 1.00 0.00 H new ATOM 0 HA GLU A 19 1.512 9.284 3.539 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.859 8.107 5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.160 9.632 5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.401 8.554 7.169 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.597 7.034 6.318 1.00 0.00 H new ATOM 345 N GLU A 20 -0.223 6.752 3.483 1.00 0.00 N ATOM 346 CA GLU A 20 -0.447 5.409 2.857 1.00 0.00 C ATOM 347 C GLU A 20 -0.428 5.523 1.324 1.00 0.00 C ATOM 348 O GLU A 20 0.063 4.643 0.642 1.00 0.00 O ATOM 349 CB GLU A 20 -1.805 4.871 3.335 1.00 0.00 C ATOM 350 CG GLU A 20 -1.987 3.397 2.917 1.00 0.00 C ATOM 351 CD GLU A 20 -3.460 3.002 3.137 1.00 0.00 C ATOM 352 OE1 GLU A 20 -4.250 3.352 2.272 1.00 0.00 O ATOM 353 OE2 GLU A 20 -3.716 2.374 4.154 1.00 0.00 O ATOM 0 H GLU A 20 -1.081 7.245 3.730 1.00 0.00 H new ATOM 0 HA GLU A 20 0.349 4.725 3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.875 4.958 4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.609 5.475 2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.712 3.264 1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.331 2.754 3.504 1.00 0.00 H new ATOM 360 N ASP A 21 -0.969 6.612 0.842 1.00 0.00 N ATOM 361 CA ASP A 21 -1.150 6.819 -0.628 1.00 0.00 C ATOM 362 C ASP A 21 -0.428 8.091 -1.060 1.00 0.00 C ATOM 363 O ASP A 21 -0.080 8.913 -0.234 1.00 0.00 O ATOM 364 CB ASP A 21 -2.654 6.931 -0.924 1.00 0.00 C ATOM 365 CG ASP A 21 -3.257 5.519 -1.068 1.00 0.00 C ATOM 366 OD1 ASP A 21 -3.165 4.772 -0.104 1.00 0.00 O ATOM 367 OD2 ASP A 21 -3.779 5.264 -2.142 1.00 0.00 O ATOM 0 H ASP A 21 -1.301 7.385 1.419 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.730 5.979 -1.182 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.154 7.471 -0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.814 7.501 -1.839 1.00 0.00 H new ATOM 372 N ILE A 22 -0.230 8.205 -2.349 1.00 0.00 N ATOM 373 CA ILE A 22 0.417 9.431 -2.915 1.00 0.00 C ATOM 374 C ILE A 22 -0.522 10.117 -3.902 1.00 0.00 C ATOM 375 O ILE A 22 -1.657 9.722 -4.101 1.00 0.00 O ATOM 376 CB ILE A 22 1.769 9.073 -3.671 1.00 0.00 C ATOM 377 CG1 ILE A 22 2.229 7.623 -3.389 1.00 0.00 C ATOM 378 CG2 ILE A 22 2.892 10.071 -3.243 1.00 0.00 C ATOM 379 CD1 ILE A 22 1.447 6.636 -4.286 1.00 0.00 C ATOM 0 H ILE A 22 -0.489 7.499 -3.038 1.00 0.00 H new ATOM 0 HA ILE A 22 0.638 10.097 -2.081 1.00 0.00 H new ATOM 0 HB ILE A 22 1.579 9.157 -4.741 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.299 7.529 -3.577 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.067 7.379 -2.339 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.817 9.823 -3.763 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.593 11.087 -3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.051 10.001 -2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.777 5.618 -4.081 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.381 6.721 -4.077 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.631 6.873 -5.334 1.00 0.00 H new ATOM 391 N ASP A 23 0.028 11.143 -4.486 1.00 0.00 N ATOM 392 CA ASP A 23 -0.753 12.018 -5.410 1.00 0.00 C ATOM 393 C ASP A 23 -0.744 11.355 -6.787 1.00 0.00 C ATOM 394 O ASP A 23 0.307 10.996 -7.282 1.00 0.00 O ATOM 395 CB ASP A 23 -0.090 13.403 -5.480 1.00 0.00 C ATOM 396 CG ASP A 23 -0.208 14.072 -4.097 1.00 0.00 C ATOM 397 OD1 ASP A 23 -1.251 14.665 -3.870 1.00 0.00 O ATOM 398 OD2 ASP A 23 0.748 13.950 -3.347 1.00 0.00 O ATOM 0 H ASP A 23 1.002 11.419 -4.362 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.778 12.145 -5.060 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.957 13.308 -5.766 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.574 14.017 -6.240 1.00 0.00 H new ATOM 403 N LEU A 24 -1.913 11.210 -7.358 1.00 0.00 N ATOM 404 CA LEU A 24 -2.042 10.494 -8.666 1.00 0.00 C ATOM 405 C LEU A 24 -2.696 11.400 -9.707 1.00 0.00 C ATOM 406 O LEU A 24 -3.697 12.038 -9.446 1.00 0.00 O ATOM 407 CB LEU A 24 -2.906 9.220 -8.496 1.00 0.00 C ATOM 408 CG LEU A 24 -2.308 8.258 -7.427 1.00 0.00 C ATOM 409 CD1 LEU A 24 -3.221 6.997 -7.291 1.00 0.00 C ATOM 410 CD2 LEU A 24 -0.862 7.809 -7.813 1.00 0.00 C ATOM 0 H LEU A 24 -2.790 11.559 -6.972 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.042 10.217 -9.001 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.918 9.502 -8.206 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.981 8.701 -9.452 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.260 8.792 -6.478 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.802 6.324 -6.543 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.221 7.303 -6.985 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.277 6.483 -8.251 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.473 7.138 -7.047 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.886 7.290 -8.771 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.218 8.685 -7.890 1.00 0.00 H new ATOM 422 N HIS A 25 -2.085 11.412 -10.863 1.00 0.00 N ATOM 423 CA HIS A 25 -2.506 12.333 -11.966 1.00 0.00 C ATOM 424 C HIS A 25 -2.427 11.585 -13.299 1.00 0.00 C ATOM 425 O HIS A 25 -1.921 10.482 -13.363 1.00 0.00 O ATOM 426 CB HIS A 25 -1.574 13.600 -12.012 1.00 0.00 C ATOM 427 CG HIS A 25 -0.408 13.535 -11.024 1.00 0.00 C ATOM 428 ND1 HIS A 25 -0.496 13.432 -9.735 1.00 0.00 N ATOM 429 CD2 HIS A 25 0.949 13.574 -11.269 1.00 0.00 C ATOM 430 CE1 HIS A 25 0.693 13.409 -9.223 1.00 0.00 C ATOM 431 NE2 HIS A 25 1.626 13.494 -10.138 1.00 0.00 N ATOM 0 H HIS A 25 -1.295 10.810 -11.096 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.529 12.663 -11.785 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.179 13.714 -13.021 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.170 14.488 -11.801 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -1.367 13.378 -9.206 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.395 13.658 -12.249 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.892 13.329 -8.165 1.00 0.00 H new ATOM 439 N LEU A 26 -2.934 12.211 -14.329 1.00 0.00 N ATOM 440 CA LEU A 26 -3.078 11.524 -15.653 1.00 0.00 C ATOM 441 C LEU A 26 -1.695 11.362 -16.296 1.00 0.00 C ATOM 442 O LEU A 26 -0.805 12.155 -16.056 1.00 0.00 O ATOM 443 CB LEU A 26 -3.991 12.358 -16.612 1.00 0.00 C ATOM 444 CG LEU A 26 -5.038 13.213 -15.830 1.00 0.00 C ATOM 445 CD1 LEU A 26 -4.408 14.600 -15.455 1.00 0.00 C ATOM 446 CD2 LEU A 26 -6.328 13.418 -16.693 1.00 0.00 C ATOM 0 H LEU A 26 -3.258 13.178 -14.312 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.535 10.548 -15.489 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.371 13.014 -17.222 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.510 11.685 -17.294 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.317 12.688 -14.917 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.139 15.196 -14.909 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.529 14.443 -14.830 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.118 15.126 -16.365 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.048 14.016 -16.134 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.069 13.933 -17.618 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.766 12.448 -16.928 1.00 0.00 H new ATOM 458 N GLY A 27 -1.557 10.334 -17.095 1.00 0.00 N ATOM 459 CA GLY A 27 -0.282 10.116 -17.847 1.00 0.00 C ATOM 460 C GLY A 27 0.821 9.522 -16.956 1.00 0.00 C ATOM 461 O GLY A 27 1.834 9.068 -17.451 1.00 0.00 O ATOM 0 H GLY A 27 -2.278 9.631 -17.260 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.467 9.448 -18.688 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.060 11.064 -18.263 1.00 0.00 H new ATOM 465 N ASP A 28 0.582 9.548 -15.669 1.00 0.00 N ATOM 466 CA ASP A 28 1.499 8.873 -14.691 1.00 0.00 C ATOM 467 C ASP A 28 1.393 7.357 -14.829 1.00 0.00 C ATOM 468 O ASP A 28 0.313 6.835 -15.036 1.00 0.00 O ATOM 469 CB ASP A 28 1.118 9.256 -13.259 1.00 0.00 C ATOM 470 CG ASP A 28 1.436 10.740 -13.030 1.00 0.00 C ATOM 471 OD1 ASP A 28 0.693 11.545 -13.566 1.00 0.00 O ATOM 472 OD2 ASP A 28 2.408 10.980 -12.331 1.00 0.00 O ATOM 0 H ASP A 28 -0.220 10.014 -15.246 1.00 0.00 H new ATOM 0 HA ASP A 28 2.518 9.195 -14.903 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.058 9.069 -13.090 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.668 8.640 -12.547 1.00 0.00 H new ATOM 477 N ILE A 29 2.520 6.704 -14.702 1.00 0.00 N ATOM 478 CA ILE A 29 2.536 5.212 -14.652 1.00 0.00 C ATOM 479 C ILE A 29 3.071 4.742 -13.308 1.00 0.00 C ATOM 480 O ILE A 29 3.990 5.308 -12.747 1.00 0.00 O ATOM 481 CB ILE A 29 3.413 4.697 -15.854 1.00 0.00 C ATOM 482 CG1 ILE A 29 2.404 4.413 -16.994 1.00 0.00 C ATOM 483 CG2 ILE A 29 4.234 3.385 -15.545 1.00 0.00 C ATOM 484 CD1 ILE A 29 3.106 4.285 -18.359 1.00 0.00 C ATOM 0 H ILE A 29 3.437 7.145 -14.630 1.00 0.00 H new ATOM 0 HA ILE A 29 1.530 4.805 -14.749 1.00 0.00 H new ATOM 0 HB ILE A 29 4.165 5.448 -16.098 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.860 3.494 -16.777 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.668 5.216 -17.037 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.810 3.100 -16.426 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.912 3.568 -14.712 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.548 2.579 -15.284 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.364 4.086 -19.132 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.629 5.214 -18.588 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.823 3.465 -18.324 1.00 0.00 H new ATOM 496 N LEU A 30 2.440 3.694 -12.852 1.00 0.00 N ATOM 497 CA LEU A 30 2.835 3.024 -11.585 1.00 0.00 C ATOM 498 C LEU A 30 3.506 1.690 -11.909 1.00 0.00 C ATOM 499 O LEU A 30 3.186 1.080 -12.912 1.00 0.00 O ATOM 500 CB LEU A 30 1.572 2.789 -10.735 1.00 0.00 C ATOM 501 CG LEU A 30 1.144 4.110 -10.045 1.00 0.00 C ATOM 502 CD1 LEU A 30 0.519 5.091 -11.089 1.00 0.00 C ATOM 503 CD2 LEU A 30 0.117 3.795 -8.927 1.00 0.00 C ATOM 0 H LEU A 30 1.643 3.264 -13.322 1.00 0.00 H new ATOM 0 HA LEU A 30 3.536 3.647 -11.029 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.763 2.420 -11.365 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.766 2.023 -9.984 1.00 0.00 H new ATOM 0 HG LEU A 30 2.021 4.587 -9.608 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.223 6.014 -10.590 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.254 5.316 -11.862 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.357 4.628 -11.544 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.186 4.722 -8.440 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.757 3.311 -9.362 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.571 3.131 -8.192 1.00 0.00 H new ATOM 515 N THR A 31 4.411 1.279 -11.054 1.00 0.00 N ATOM 516 CA THR A 31 5.119 -0.024 -11.266 1.00 0.00 C ATOM 517 C THR A 31 5.041 -0.892 -10.013 1.00 0.00 C ATOM 518 O THR A 31 5.180 -0.396 -8.914 1.00 0.00 O ATOM 519 CB THR A 31 6.585 0.263 -11.611 1.00 0.00 C ATOM 520 OG1 THR A 31 6.550 1.126 -12.744 1.00 0.00 O ATOM 521 CG2 THR A 31 7.297 -1.015 -12.114 1.00 0.00 C ATOM 0 H THR A 31 4.691 1.790 -10.217 1.00 0.00 H new ATOM 0 HA THR A 31 4.640 -0.565 -12.082 1.00 0.00 H new ATOM 0 HB THR A 31 7.095 0.662 -10.734 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.465 1.349 -13.014 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.335 -0.783 -12.352 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.264 -1.779 -11.338 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.794 -1.384 -13.008 1.00 0.00 H new ATOM 529 N VAL A 32 4.821 -2.165 -10.227 1.00 0.00 N ATOM 530 CA VAL A 32 4.754 -3.137 -9.088 1.00 0.00 C ATOM 531 C VAL A 32 6.022 -4.009 -9.102 1.00 0.00 C ATOM 532 O VAL A 32 7.047 -3.601 -9.616 1.00 0.00 O ATOM 533 CB VAL A 32 3.447 -4.019 -9.246 1.00 0.00 C ATOM 534 CG1 VAL A 32 2.969 -4.508 -7.835 1.00 0.00 C ATOM 535 CG2 VAL A 32 2.299 -3.222 -9.953 1.00 0.00 C ATOM 0 H VAL A 32 4.684 -2.578 -11.150 1.00 0.00 H new ATOM 0 HA VAL A 32 4.706 -2.615 -8.132 1.00 0.00 H new ATOM 0 HB VAL A 32 3.690 -4.878 -9.871 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.070 -5.114 -7.945 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.755 -5.105 -7.371 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.750 -3.645 -7.206 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.418 -3.857 -10.045 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.051 -2.340 -9.362 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.628 -2.913 -10.945 1.00 0.00 H new ATOM 545 N ASN A 33 5.913 -5.182 -8.531 1.00 0.00 N ATOM 546 CA ASN A 33 7.017 -6.178 -8.588 1.00 0.00 C ATOM 547 C ASN A 33 6.974 -6.958 -9.915 1.00 0.00 C ATOM 548 O ASN A 33 6.073 -6.791 -10.714 1.00 0.00 O ATOM 549 CB ASN A 33 6.860 -7.121 -7.352 1.00 0.00 C ATOM 550 CG ASN A 33 8.254 -7.590 -6.912 1.00 0.00 C ATOM 551 OD1 ASN A 33 8.802 -8.543 -7.429 1.00 0.00 O ATOM 552 ND2 ASN A 33 8.860 -6.943 -5.953 1.00 0.00 N ATOM 0 H ASN A 33 5.088 -5.494 -8.019 1.00 0.00 H new ATOM 0 HA ASN A 33 7.989 -5.686 -8.552 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.363 -6.596 -6.536 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.236 -7.978 -7.607 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.786 -7.239 -5.644 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.407 -6.142 -5.513 1.00 0.00 H new ATOM 559 N LYS A 34 7.974 -7.781 -10.097 1.00 0.00 N ATOM 560 CA LYS A 34 8.120 -8.625 -11.331 1.00 0.00 C ATOM 561 C LYS A 34 7.990 -10.110 -10.985 1.00 0.00 C ATOM 562 O LYS A 34 7.606 -10.902 -11.821 1.00 0.00 O ATOM 563 CB LYS A 34 9.502 -8.366 -11.961 1.00 0.00 C ATOM 564 CG LYS A 34 10.552 -8.211 -10.832 1.00 0.00 C ATOM 565 CD LYS A 34 11.966 -8.541 -11.354 1.00 0.00 C ATOM 566 CE LYS A 34 12.321 -10.001 -10.997 1.00 0.00 C ATOM 567 NZ LYS A 34 12.479 -10.145 -9.520 1.00 0.00 N ATOM 0 H LYS A 34 8.724 -7.910 -9.418 1.00 0.00 H new ATOM 0 HA LYS A 34 7.332 -8.360 -12.035 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.776 -9.191 -12.619 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.473 -7.465 -12.574 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.530 -7.192 -10.446 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.302 -8.872 -10.002 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.008 -8.399 -12.434 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.695 -7.861 -10.914 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.539 -10.671 -11.354 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.244 -10.292 -11.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.155 -10.909 -9.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.834 -9.253 -9.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.559 -10.374 -9.093 1.00 0.00 H new ATOM 581 N GLY A 35 8.318 -10.436 -9.762 1.00 0.00 N ATOM 582 CA GLY A 35 8.178 -11.837 -9.270 1.00 0.00 C ATOM 583 C GLY A 35 7.993 -11.810 -7.757 1.00 0.00 C ATOM 584 O GLY A 35 8.746 -12.423 -7.026 1.00 0.00 O ATOM 0 H GLY A 35 8.683 -9.779 -9.073 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.325 -12.321 -9.746 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.062 -12.419 -9.532 1.00 0.00 H new ATOM 588 N SER A 36 6.986 -11.092 -7.334 1.00 0.00 N ATOM 589 CA SER A 36 6.573 -11.126 -5.901 1.00 0.00 C ATOM 590 C SER A 36 5.121 -10.655 -5.830 1.00 0.00 C ATOM 591 O SER A 36 4.782 -9.700 -5.159 1.00 0.00 O ATOM 592 CB SER A 36 7.520 -10.198 -5.103 1.00 0.00 C ATOM 593 OG SER A 36 7.449 -10.653 -3.757 1.00 0.00 O ATOM 0 H SER A 36 6.427 -10.478 -7.926 1.00 0.00 H new ATOM 0 HA SER A 36 6.639 -12.126 -5.473 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.540 -10.256 -5.484 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.209 -9.156 -5.183 1.00 0.00 H new ATOM 0 HG SER A 36 8.033 -10.103 -3.194 1.00 0.00 H new ATOM 599 N LEU A 37 4.309 -11.377 -6.559 1.00 0.00 N ATOM 600 CA LEU A 37 2.816 -11.302 -6.420 1.00 0.00 C ATOM 601 C LEU A 37 2.359 -11.487 -4.953 1.00 0.00 C ATOM 602 O LEU A 37 1.313 -11.003 -4.563 1.00 0.00 O ATOM 603 CB LEU A 37 2.204 -12.402 -7.319 1.00 0.00 C ATOM 604 CG LEU A 37 1.995 -11.874 -8.776 1.00 0.00 C ATOM 605 CD1 LEU A 37 1.785 -13.069 -9.758 1.00 0.00 C ATOM 606 CD2 LEU A 37 0.771 -10.916 -8.822 1.00 0.00 C ATOM 0 H LEU A 37 4.627 -12.037 -7.268 1.00 0.00 H new ATOM 0 HA LEU A 37 2.475 -10.313 -6.728 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.859 -13.273 -7.333 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.250 -12.728 -6.905 1.00 0.00 H new ATOM 0 HG LEU A 37 2.884 -11.324 -9.084 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.641 -12.688 -10.769 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.662 -13.716 -9.736 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.906 -13.638 -9.456 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.632 -10.552 -9.840 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.123 -11.452 -8.503 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.945 -10.071 -8.156 1.00 0.00 H new ATOM 618 N VAL A 38 3.179 -12.182 -4.203 1.00 0.00 N ATOM 619 CA VAL A 38 2.991 -12.404 -2.728 1.00 0.00 C ATOM 620 C VAL A 38 2.908 -11.100 -1.935 1.00 0.00 C ATOM 621 O VAL A 38 2.610 -11.109 -0.756 1.00 0.00 O ATOM 622 CB VAL A 38 4.175 -13.265 -2.178 1.00 0.00 C ATOM 623 CG1 VAL A 38 3.781 -13.853 -0.788 1.00 0.00 C ATOM 624 CG2 VAL A 38 4.542 -14.408 -3.176 1.00 0.00 C ATOM 0 H VAL A 38 4.018 -12.629 -4.573 1.00 0.00 H new ATOM 0 HA VAL A 38 2.040 -12.921 -2.601 1.00 0.00 H new ATOM 0 HB VAL A 38 5.054 -12.631 -2.065 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.604 -14.454 -0.401 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.569 -13.039 -0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.894 -14.478 -0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.368 -14.993 -2.771 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.677 -15.055 -3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.838 -13.975 -4.132 1.00 0.00 H new ATOM 634 N ALA A 39 3.190 -10.031 -2.627 1.00 0.00 N ATOM 635 CA ALA A 39 2.973 -8.637 -2.132 1.00 0.00 C ATOM 636 C ALA A 39 1.717 -8.566 -1.246 1.00 0.00 C ATOM 637 O ALA A 39 1.695 -7.886 -0.239 1.00 0.00 O ATOM 638 CB ALA A 39 2.802 -7.690 -3.337 1.00 0.00 C ATOM 0 H ALA A 39 3.584 -10.069 -3.567 1.00 0.00 H new ATOM 0 HA ALA A 39 3.837 -8.336 -1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.643 -6.672 -2.980 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.699 -7.722 -3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.942 -8.005 -3.928 1.00 0.00 H new ATOM 644 N LEU A 40 0.723 -9.295 -1.685 1.00 0.00 N ATOM 645 CA LEU A 40 -0.571 -9.435 -0.958 1.00 0.00 C ATOM 646 C LEU A 40 -0.955 -10.886 -0.642 1.00 0.00 C ATOM 647 O LEU A 40 -1.997 -11.120 -0.056 1.00 0.00 O ATOM 648 CB LEU A 40 -1.627 -8.763 -1.836 1.00 0.00 C ATOM 649 CG LEU A 40 -1.566 -7.254 -1.536 1.00 0.00 C ATOM 650 CD1 LEU A 40 -2.352 -6.461 -2.605 1.00 0.00 C ATOM 651 CD2 LEU A 40 -2.121 -7.025 -0.120 1.00 0.00 C ATOM 0 H LEU A 40 0.761 -9.821 -2.558 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.487 -8.963 0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.431 -8.955 -2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.619 -9.160 -1.619 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.538 -6.894 -1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.300 -5.396 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.918 -6.646 -3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.394 -6.782 -2.603 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.088 -5.961 0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.152 -7.376 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.517 -7.576 0.601 1.00 0.00 H new ATOM 663 N GLY A 41 -0.121 -11.816 -1.029 1.00 0.00 N ATOM 664 CA GLY A 41 -0.454 -13.259 -0.833 1.00 0.00 C ATOM 665 C GLY A 41 -1.505 -13.705 -1.846 1.00 0.00 C ATOM 666 O GLY A 41 -2.360 -14.522 -1.563 1.00 0.00 O ATOM 0 H GLY A 41 0.779 -11.638 -1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.446 -13.864 -0.942 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.825 -13.419 0.179 1.00 0.00 H new ATOM 670 N PHE A 42 -1.380 -13.124 -3.005 1.00 0.00 N ATOM 671 CA PHE A 42 -2.277 -13.443 -4.158 1.00 0.00 C ATOM 672 C PHE A 42 -2.175 -14.918 -4.580 1.00 0.00 C ATOM 673 O PHE A 42 -1.233 -15.607 -4.239 1.00 0.00 O ATOM 674 CB PHE A 42 -1.893 -12.535 -5.348 1.00 0.00 C ATOM 675 CG PHE A 42 -3.066 -11.619 -5.704 1.00 0.00 C ATOM 676 CD1 PHE A 42 -4.011 -12.025 -6.625 1.00 0.00 C ATOM 677 CD2 PHE A 42 -3.184 -10.380 -5.107 1.00 0.00 C ATOM 678 CE1 PHE A 42 -5.065 -11.198 -6.947 1.00 0.00 C ATOM 679 CE2 PHE A 42 -4.236 -9.550 -5.425 1.00 0.00 C ATOM 680 CZ PHE A 42 -5.179 -9.959 -6.348 1.00 0.00 C ATOM 0 H PHE A 42 -0.672 -12.419 -3.210 1.00 0.00 H new ATOM 0 HA PHE A 42 -3.307 -13.265 -3.850 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.018 -11.937 -5.093 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.622 -13.145 -6.210 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.924 -12.994 -7.094 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.447 -10.059 -4.386 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.802 -11.519 -7.668 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.324 -8.582 -4.954 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.005 -9.310 -6.601 1.00 0.00 H new ATOM 690 N SER A 43 -3.172 -15.333 -5.317 1.00 0.00 N ATOM 691 CA SER A 43 -3.261 -16.738 -5.841 1.00 0.00 C ATOM 692 C SER A 43 -3.299 -16.720 -7.374 1.00 0.00 C ATOM 693 O SER A 43 -3.330 -15.660 -7.969 1.00 0.00 O ATOM 694 CB SER A 43 -4.542 -17.394 -5.288 1.00 0.00 C ATOM 695 OG SER A 43 -5.588 -16.469 -5.566 1.00 0.00 O ATOM 0 H SER A 43 -3.956 -14.739 -5.588 1.00 0.00 H new ATOM 0 HA SER A 43 -2.389 -17.309 -5.521 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.730 -18.355 -5.766 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.457 -17.582 -4.218 1.00 0.00 H new ATOM 0 HG SER A 43 -6.439 -16.829 -5.239 1.00 0.00 H new ATOM 701 N ASP A 44 -3.296 -17.902 -7.948 1.00 0.00 N ATOM 702 CA ASP A 44 -3.260 -18.094 -9.437 1.00 0.00 C ATOM 703 C ASP A 44 -2.089 -17.309 -10.074 1.00 0.00 C ATOM 704 O ASP A 44 -1.013 -17.853 -10.229 1.00 0.00 O ATOM 705 CB ASP A 44 -4.646 -17.637 -10.016 1.00 0.00 C ATOM 706 CG ASP A 44 -4.557 -17.425 -11.547 1.00 0.00 C ATOM 707 OD1 ASP A 44 -4.282 -18.411 -12.213 1.00 0.00 O ATOM 708 OD2 ASP A 44 -4.766 -16.297 -11.967 1.00 0.00 O ATOM 0 H ASP A 44 -3.318 -18.776 -7.423 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.090 -19.144 -9.676 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.405 -18.387 -9.791 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.960 -16.711 -9.533 1.00 0.00 H new ATOM 713 N GLY A 45 -2.335 -16.066 -10.420 1.00 0.00 N ATOM 714 CA GLY A 45 -1.309 -15.211 -11.089 1.00 0.00 C ATOM 715 C GLY A 45 -1.738 -14.818 -12.503 1.00 0.00 C ATOM 716 O GLY A 45 -1.478 -15.522 -13.459 1.00 0.00 O ATOM 0 H GLY A 45 -3.228 -15.600 -10.261 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.141 -14.312 -10.496 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.360 -15.746 -11.132 1.00 0.00 H new ATOM 720 N GLN A 46 -2.385 -13.686 -12.559 1.00 0.00 N ATOM 721 CA GLN A 46 -2.889 -13.095 -13.834 1.00 0.00 C ATOM 722 C GLN A 46 -2.281 -11.689 -14.006 1.00 0.00 C ATOM 723 O GLN A 46 -1.558 -11.441 -14.952 1.00 0.00 O ATOM 724 CB GLN A 46 -4.434 -13.033 -13.748 1.00 0.00 C ATOM 725 CG GLN A 46 -5.042 -13.601 -15.031 1.00 0.00 C ATOM 726 CD GLN A 46 -6.494 -13.113 -15.221 1.00 0.00 C ATOM 727 OE1 GLN A 46 -6.968 -12.974 -16.332 1.00 0.00 O ATOM 728 NE2 GLN A 46 -7.235 -12.842 -14.178 1.00 0.00 N ATOM 0 H GLN A 46 -2.594 -13.122 -11.735 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.602 -13.696 -14.697 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.783 -13.601 -12.886 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.759 -12.003 -13.604 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -4.439 -13.300 -15.887 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.023 -14.690 -14.995 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.853 -12.953 -13.239 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.194 -12.520 -14.304 1.00 0.00 H new ATOM 737 N GLU A 47 -2.605 -10.828 -13.070 1.00 0.00 N ATOM 738 CA GLU A 47 -2.164 -9.396 -13.092 1.00 0.00 C ATOM 739 C GLU A 47 -2.486 -8.707 -14.431 1.00 0.00 C ATOM 740 O GLU A 47 -1.660 -8.598 -15.317 1.00 0.00 O ATOM 741 CB GLU A 47 -0.653 -9.362 -12.804 1.00 0.00 C ATOM 742 CG GLU A 47 -0.252 -7.963 -12.278 1.00 0.00 C ATOM 743 CD GLU A 47 -0.425 -7.878 -10.739 1.00 0.00 C ATOM 744 OE1 GLU A 47 -1.558 -7.995 -10.298 1.00 0.00 O ATOM 745 OE2 GLU A 47 0.591 -7.697 -10.084 1.00 0.00 O ATOM 0 H GLU A 47 -3.179 -11.069 -12.262 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.711 -8.841 -12.330 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.396 -10.125 -12.069 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.095 -9.593 -13.711 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.784 -7.754 -12.543 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.864 -7.200 -12.759 1.00 0.00 H new ATOM 752 N ALA A 48 -3.712 -8.263 -14.517 1.00 0.00 N ATOM 753 CA ALA A 48 -4.227 -7.595 -15.759 1.00 0.00 C ATOM 754 C ALA A 48 -5.652 -7.060 -15.557 1.00 0.00 C ATOM 755 O ALA A 48 -6.091 -6.216 -16.316 1.00 0.00 O ATOM 756 CB ALA A 48 -4.209 -8.619 -16.940 1.00 0.00 C ATOM 0 H ALA A 48 -4.396 -8.335 -13.764 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.581 -6.748 -15.988 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.582 -8.138 -17.844 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.189 -8.964 -17.107 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.844 -9.470 -16.693 1.00 0.00 H new ATOM 762 N LYS A 49 -6.320 -7.564 -14.550 1.00 0.00 N ATOM 763 CA LYS A 49 -7.747 -7.198 -14.275 1.00 0.00 C ATOM 764 C LYS A 49 -7.828 -6.477 -12.905 1.00 0.00 C ATOM 765 O LYS A 49 -8.054 -7.127 -11.900 1.00 0.00 O ATOM 766 CB LYS A 49 -8.594 -8.506 -14.277 1.00 0.00 C ATOM 767 CG LYS A 49 -9.134 -8.839 -15.695 1.00 0.00 C ATOM 768 CD LYS A 49 -7.980 -8.947 -16.728 1.00 0.00 C ATOM 769 CE LYS A 49 -8.410 -9.808 -17.927 1.00 0.00 C ATOM 770 NZ LYS A 49 -7.501 -9.548 -19.083 1.00 0.00 N ATOM 0 H LYS A 49 -5.926 -8.232 -13.888 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.136 -6.523 -15.038 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.985 -9.335 -13.916 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.430 -8.399 -13.585 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.687 -9.778 -15.665 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.835 -8.066 -16.010 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.696 -7.952 -17.070 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.101 -9.384 -16.255 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.380 -10.864 -17.658 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.439 -9.578 -18.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.794 -10.131 -19.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.551 -8.543 -19.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.525 -9.789 -18.818 1.00 0.00 H new ATOM 784 N PRO A 50 -7.647 -5.172 -12.874 1.00 0.00 N ATOM 785 CA PRO A 50 -7.847 -4.362 -11.634 1.00 0.00 C ATOM 786 C PRO A 50 -9.272 -4.470 -11.055 1.00 0.00 C ATOM 787 O PRO A 50 -9.539 -3.952 -9.986 1.00 0.00 O ATOM 788 CB PRO A 50 -7.502 -2.920 -12.014 1.00 0.00 C ATOM 789 CG PRO A 50 -7.063 -2.923 -13.506 1.00 0.00 C ATOM 790 CD PRO A 50 -7.227 -4.357 -14.045 1.00 0.00 C ATOM 0 HA PRO A 50 -7.206 -4.737 -10.836 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.364 -2.269 -11.869 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.703 -2.537 -11.380 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.670 -2.226 -14.084 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.027 -2.596 -13.600 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.973 -4.396 -14.839 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.293 -4.728 -14.467 1.00 0.00 H new ATOM 798 N GLU A 51 -10.139 -5.136 -11.775 1.00 0.00 N ATOM 799 CA GLU A 51 -11.539 -5.360 -11.304 1.00 0.00 C ATOM 800 C GLU A 51 -11.567 -6.277 -10.076 1.00 0.00 C ATOM 801 O GLU A 51 -12.336 -6.052 -9.160 1.00 0.00 O ATOM 802 CB GLU A 51 -12.349 -5.994 -12.446 1.00 0.00 C ATOM 803 CG GLU A 51 -12.618 -4.935 -13.542 1.00 0.00 C ATOM 804 CD GLU A 51 -14.066 -4.422 -13.413 1.00 0.00 C ATOM 805 OE1 GLU A 51 -14.270 -3.573 -12.558 1.00 0.00 O ATOM 806 OE2 GLU A 51 -14.889 -4.905 -14.175 1.00 0.00 O ATOM 0 H GLU A 51 -9.931 -5.542 -12.687 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.975 -4.403 -11.018 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.803 -6.838 -12.868 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.292 -6.384 -12.063 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.917 -4.107 -13.443 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.461 -5.369 -14.529 1.00 0.00 H new ATOM 813 N GLU A 52 -10.724 -7.278 -10.098 1.00 0.00 N ATOM 814 CA GLU A 52 -10.683 -8.268 -8.974 1.00 0.00 C ATOM 815 C GLU A 52 -9.685 -7.810 -7.907 1.00 0.00 C ATOM 816 O GLU A 52 -9.762 -8.256 -6.778 1.00 0.00 O ATOM 817 CB GLU A 52 -10.268 -9.668 -9.518 1.00 0.00 C ATOM 818 CG GLU A 52 -9.114 -9.545 -10.537 1.00 0.00 C ATOM 819 CD GLU A 52 -8.632 -10.933 -10.995 1.00 0.00 C ATOM 820 OE1 GLU A 52 -9.343 -11.517 -11.801 1.00 0.00 O ATOM 821 OE2 GLU A 52 -7.581 -11.334 -10.520 1.00 0.00 O ATOM 0 H GLU A 52 -10.058 -7.455 -10.850 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.674 -8.336 -8.526 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.961 -10.307 -8.690 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.125 -10.148 -9.990 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.446 -8.968 -11.400 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.285 -8.998 -10.088 1.00 0.00 H new ATOM 828 N ILE A 53 -8.784 -6.938 -8.289 1.00 0.00 N ATOM 829 CA ILE A 53 -7.740 -6.465 -7.325 1.00 0.00 C ATOM 830 C ILE A 53 -8.181 -5.144 -6.691 1.00 0.00 C ATOM 831 O ILE A 53 -8.560 -4.220 -7.387 1.00 0.00 O ATOM 832 CB ILE A 53 -6.388 -6.259 -8.063 1.00 0.00 C ATOM 833 CG1 ILE A 53 -6.178 -7.387 -9.112 1.00 0.00 C ATOM 834 CG2 ILE A 53 -5.231 -6.303 -7.017 1.00 0.00 C ATOM 835 CD1 ILE A 53 -4.891 -7.152 -9.919 1.00 0.00 C ATOM 0 H ILE A 53 -8.726 -6.534 -9.224 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.613 -7.217 -6.546 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.395 -5.296 -8.574 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.125 -8.352 -8.608 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.033 -7.426 -9.787 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.277 -6.159 -7.524 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.374 -5.511 -6.282 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.232 -7.270 -6.513 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.766 -7.954 -10.646 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.958 -6.197 -10.440 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.036 -7.138 -9.244 1.00 0.00 H new ATOM 847 N GLY A 54 -8.115 -5.099 -5.383 1.00 0.00 N ATOM 848 CA GLY A 54 -8.609 -3.903 -4.635 1.00 0.00 C ATOM 849 C GLY A 54 -7.488 -2.891 -4.467 1.00 0.00 C ATOM 850 O GLY A 54 -7.410 -1.904 -5.174 1.00 0.00 O ATOM 0 H GLY A 54 -7.738 -5.845 -4.798 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.442 -3.448 -5.171 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.985 -4.206 -3.658 1.00 0.00 H new ATOM 854 N TRP A 55 -6.659 -3.197 -3.516 1.00 0.00 N ATOM 855 CA TRP A 55 -5.443 -2.376 -3.254 1.00 0.00 C ATOM 856 C TRP A 55 -4.263 -2.912 -4.053 1.00 0.00 C ATOM 857 O TRP A 55 -4.009 -4.100 -4.077 1.00 0.00 O ATOM 858 CB TRP A 55 -5.141 -2.424 -1.759 1.00 0.00 C ATOM 859 CG TRP A 55 -5.989 -1.345 -1.090 1.00 0.00 C ATOM 860 CD1 TRP A 55 -7.076 -1.571 -0.308 1.00 0.00 C ATOM 861 CD2 TRP A 55 -5.779 -0.014 -1.184 1.00 0.00 C ATOM 862 NE1 TRP A 55 -7.453 -0.349 0.021 1.00 0.00 N ATOM 863 CE2 TRP A 55 -6.735 0.656 -0.459 1.00 0.00 C ATOM 864 CE3 TRP A 55 -4.807 0.688 -1.870 1.00 0.00 C ATOM 865 CZ2 TRP A 55 -6.718 2.038 -0.417 1.00 0.00 C ATOM 866 CZ3 TRP A 55 -4.792 2.060 -1.825 1.00 0.00 C ATOM 867 CH2 TRP A 55 -5.745 2.735 -1.104 1.00 0.00 C ATOM 0 H TRP A 55 -6.772 -3.998 -2.894 1.00 0.00 H new ATOM 0 HA TRP A 55 -5.616 -1.345 -3.562 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.377 -3.407 -1.351 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.081 -2.249 -1.575 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.521 -2.514 -0.026 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.263 -0.186 0.619 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -4.059 0.158 -2.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.465 2.571 0.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.029 2.609 -2.358 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -5.733 3.815 -1.074 1.00 0.00 H new ATOM 878 N LEU A 56 -3.584 -1.994 -4.684 1.00 0.00 N ATOM 879 CA LEU A 56 -2.309 -2.311 -5.386 1.00 0.00 C ATOM 880 C LEU A 56 -1.222 -1.445 -4.756 1.00 0.00 C ATOM 881 O LEU A 56 -1.357 -0.241 -4.692 1.00 0.00 O ATOM 882 CB LEU A 56 -2.473 -1.982 -6.873 1.00 0.00 C ATOM 883 CG LEU A 56 -3.674 -2.777 -7.490 1.00 0.00 C ATOM 884 CD1 LEU A 56 -4.922 -1.862 -7.631 1.00 0.00 C ATOM 885 CD2 LEU A 56 -3.283 -3.364 -8.880 1.00 0.00 C ATOM 0 H LEU A 56 -3.866 -1.016 -4.743 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.044 -3.364 -5.294 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.638 -0.912 -6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.555 -2.228 -7.408 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.919 -3.599 -6.817 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.745 -2.433 -8.061 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.213 -1.490 -6.649 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.685 -1.021 -8.282 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.129 -3.913 -9.294 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.012 -2.552 -9.555 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.434 -4.038 -8.765 1.00 0.00 H new ATOM 897 N ASN A 57 -0.179 -2.085 -4.307 1.00 0.00 N ATOM 898 CA ASN A 57 1.049 -1.348 -3.895 1.00 0.00 C ATOM 899 C ASN A 57 1.989 -1.199 -5.102 1.00 0.00 C ATOM 900 O ASN A 57 2.410 -2.188 -5.670 1.00 0.00 O ATOM 901 CB ASN A 57 1.709 -2.146 -2.770 1.00 0.00 C ATOM 902 CG ASN A 57 2.824 -1.332 -2.106 1.00 0.00 C ATOM 903 OD1 ASN A 57 2.668 -0.048 -1.947 1.00 0.00 O flip ATOM 904 ND2 ASN A 57 3.849 -1.861 -1.724 1.00 0.00 N flip ATOM 0 H ASN A 57 -0.124 -3.099 -4.207 1.00 0.00 H new ATOM 0 HA ASN A 57 0.810 -0.346 -3.540 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.961 -2.421 -2.026 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.118 -3.074 -3.169 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.980 -2.865 -1.844 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.578 -1.301 -1.283 1.00 0.00 H new ATOM 911 N GLY A 58 2.287 0.028 -5.458 1.00 0.00 N ATOM 912 CA GLY A 58 3.297 0.289 -6.534 1.00 0.00 C ATOM 913 C GLY A 58 4.220 1.462 -6.195 1.00 0.00 C ATOM 914 O GLY A 58 4.311 1.888 -5.058 1.00 0.00 O ATOM 0 H GLY A 58 1.872 0.864 -5.048 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.896 -0.608 -6.691 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.780 0.496 -7.471 1.00 0.00 H new ATOM 918 N TYR A 59 4.882 1.941 -7.218 1.00 0.00 N ATOM 919 CA TYR A 59 5.822 3.090 -7.062 1.00 0.00 C ATOM 920 C TYR A 59 5.661 4.017 -8.275 1.00 0.00 C ATOM 921 O TYR A 59 5.811 3.604 -9.409 1.00 0.00 O ATOM 922 CB TYR A 59 7.272 2.523 -6.955 1.00 0.00 C ATOM 923 CG TYR A 59 8.356 3.583 -7.256 1.00 0.00 C ATOM 924 CD1 TYR A 59 8.248 4.879 -6.792 1.00 0.00 C ATOM 925 CD2 TYR A 59 9.464 3.240 -8.006 1.00 0.00 C ATOM 926 CE1 TYR A 59 9.220 5.811 -7.073 1.00 0.00 C ATOM 927 CE2 TYR A 59 10.440 4.175 -8.287 1.00 0.00 C ATOM 928 CZ TYR A 59 10.324 5.469 -7.821 1.00 0.00 C ATOM 929 OH TYR A 59 11.296 6.407 -8.101 1.00 0.00 O ATOM 0 H TYR A 59 4.809 1.578 -8.168 1.00 0.00 H new ATOM 0 HA TYR A 59 5.610 3.667 -6.162 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.428 2.126 -5.952 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.383 1.690 -7.649 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.390 5.164 -6.201 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.568 2.231 -8.376 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.116 6.820 -6.703 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.300 3.892 -8.876 1.00 0.00 H new ATOM 0 HH TYR A 59 12.004 5.994 -8.638 1.00 0.00 H new ATOM 939 N ASN A 60 5.361 5.253 -7.965 1.00 0.00 N ATOM 940 CA ASN A 60 5.173 6.306 -9.009 1.00 0.00 C ATOM 941 C ASN A 60 6.512 6.998 -9.317 1.00 0.00 C ATOM 942 O ASN A 60 6.855 8.001 -8.721 1.00 0.00 O ATOM 943 CB ASN A 60 4.164 7.323 -8.482 1.00 0.00 C ATOM 944 CG ASN A 60 2.792 6.665 -8.311 1.00 0.00 C ATOM 945 OD1 ASN A 60 1.842 7.007 -8.986 1.00 0.00 O ATOM 946 ND2 ASN A 60 2.646 5.722 -7.418 1.00 0.00 N ATOM 0 H ASN A 60 5.236 5.584 -7.008 1.00 0.00 H new ATOM 0 HA ASN A 60 4.806 5.856 -9.932 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.505 7.724 -7.527 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.089 8.163 -9.172 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.737 5.277 -7.290 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.441 5.431 -6.849 1.00 0.00 H new ATOM 953 N GLU A 61 7.222 6.420 -10.256 1.00 0.00 N ATOM 954 CA GLU A 61 8.563 6.956 -10.667 1.00 0.00 C ATOM 955 C GLU A 61 8.474 8.445 -11.050 1.00 0.00 C ATOM 956 O GLU A 61 9.363 9.221 -10.756 1.00 0.00 O ATOM 957 CB GLU A 61 9.090 6.159 -11.879 1.00 0.00 C ATOM 958 CG GLU A 61 9.151 4.641 -11.552 1.00 0.00 C ATOM 959 CD GLU A 61 9.441 3.788 -12.811 1.00 0.00 C ATOM 960 OE1 GLU A 61 8.813 4.039 -13.829 1.00 0.00 O ATOM 961 OE2 GLU A 61 10.286 2.914 -12.682 1.00 0.00 O ATOM 0 H GLU A 61 6.926 5.586 -10.764 1.00 0.00 H new ATOM 0 HA GLU A 61 9.242 6.852 -9.820 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.442 6.325 -12.740 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.082 6.517 -12.153 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.925 4.462 -10.806 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.205 4.327 -11.111 1.00 0.00 H new ATOM 968 N THR A 62 7.384 8.773 -11.699 1.00 0.00 N ATOM 969 CA THR A 62 7.055 10.186 -12.083 1.00 0.00 C ATOM 970 C THR A 62 7.126 11.165 -10.906 1.00 0.00 C ATOM 971 O THR A 62 7.720 12.218 -11.022 1.00 0.00 O ATOM 972 CB THR A 62 5.631 10.224 -12.687 1.00 0.00 C ATOM 973 OG1 THR A 62 4.815 9.388 -11.870 1.00 0.00 O ATOM 974 CG2 THR A 62 5.615 9.569 -14.082 1.00 0.00 C ATOM 0 H THR A 62 6.681 8.094 -11.990 1.00 0.00 H new ATOM 0 HA THR A 62 7.804 10.504 -12.808 1.00 0.00 H new ATOM 0 HB THR A 62 5.294 11.259 -12.745 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.898 9.735 -11.860 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.605 9.606 -14.490 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.293 10.107 -14.744 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.936 8.530 -14.000 1.00 0.00 H new ATOM 982 N THR A 63 6.524 10.782 -9.810 1.00 0.00 N ATOM 983 CA THR A 63 6.572 11.633 -8.575 1.00 0.00 C ATOM 984 C THR A 63 7.770 11.227 -7.710 1.00 0.00 C ATOM 985 O THR A 63 8.041 11.854 -6.702 1.00 0.00 O ATOM 986 CB THR A 63 5.265 11.453 -7.774 1.00 0.00 C ATOM 987 OG1 THR A 63 5.089 10.051 -7.622 1.00 0.00 O ATOM 988 CG2 THR A 63 4.038 11.948 -8.580 1.00 0.00 C ATOM 0 H THR A 63 5.998 9.913 -9.713 1.00 0.00 H new ATOM 0 HA THR A 63 6.679 12.679 -8.862 1.00 0.00 H new ATOM 0 HB THR A 63 5.334 12.006 -6.837 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.268 9.877 -7.115 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.133 11.808 -7.988 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.159 13.006 -8.813 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.958 11.379 -9.506 1.00 0.00 H new ATOM 996 N GLY A 64 8.445 10.187 -8.138 1.00 0.00 N ATOM 997 CA GLY A 64 9.597 9.638 -7.364 1.00 0.00 C ATOM 998 C GLY A 64 9.201 9.285 -5.925 1.00 0.00 C ATOM 999 O GLY A 64 9.987 9.459 -5.015 1.00 0.00 O ATOM 0 H GLY A 64 8.241 9.690 -9.005 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.980 8.748 -7.864 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.406 10.368 -7.349 1.00 0.00 H new ATOM 1003 N GLU A 65 7.993 8.802 -5.773 1.00 0.00 N ATOM 1004 CA GLU A 65 7.442 8.512 -4.411 1.00 0.00 C ATOM 1005 C GLU A 65 6.729 7.158 -4.406 1.00 0.00 C ATOM 1006 O GLU A 65 5.956 6.859 -5.298 1.00 0.00 O ATOM 1007 CB GLU A 65 6.443 9.607 -4.019 1.00 0.00 C ATOM 1008 CG GLU A 65 7.193 10.873 -3.580 1.00 0.00 C ATOM 1009 CD GLU A 65 6.154 11.968 -3.282 1.00 0.00 C ATOM 1010 OE1 GLU A 65 5.699 12.558 -4.249 1.00 0.00 O ATOM 1011 OE2 GLU A 65 5.870 12.153 -2.109 1.00 0.00 O ATOM 0 H GLU A 65 7.357 8.594 -6.543 1.00 0.00 H new ATOM 0 HA GLU A 65 8.265 8.487 -3.697 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.792 9.835 -4.863 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.804 9.254 -3.209 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.796 10.670 -2.695 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.877 11.201 -4.363 1.00 0.00 H new ATOM 1018 N ARG A 66 7.016 6.386 -3.387 1.00 0.00 N ATOM 1019 CA ARG A 66 6.399 5.029 -3.261 1.00 0.00 C ATOM 1020 C ARG A 66 5.086 5.146 -2.487 1.00 0.00 C ATOM 1021 O ARG A 66 4.896 6.070 -1.720 1.00 0.00 O ATOM 1022 CB ARG A 66 7.363 4.092 -2.508 1.00 0.00 C ATOM 1023 CG ARG A 66 8.675 3.926 -3.314 1.00 0.00 C ATOM 1024 CD ARG A 66 9.874 4.360 -2.453 1.00 0.00 C ATOM 1025 NE ARG A 66 11.105 4.323 -3.303 1.00 0.00 N ATOM 1026 CZ ARG A 66 12.184 4.984 -2.965 1.00 0.00 C ATOM 1027 NH1 ARG A 66 12.369 5.362 -1.728 1.00 0.00 N ATOM 1028 NH2 ARG A 66 13.058 5.247 -3.895 1.00 0.00 N ATOM 0 H ARG A 66 7.655 6.639 -2.633 1.00 0.00 H new ATOM 0 HA ARG A 66 6.204 4.620 -4.252 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.582 4.498 -1.521 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.894 3.120 -2.356 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.794 2.887 -3.623 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.632 4.526 -4.223 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.715 5.364 -2.060 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.985 3.696 -1.596 1.00 0.00 H new ATOM 0 HE ARG A 66 11.104 3.773 -4.162 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.671 5.143 -1.018 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.212 5.876 -1.473 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.891 4.940 -4.853 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.909 5.760 -3.665 1.00 0.00 H new ATOM 1042 N GLY A 67 4.220 4.195 -2.724 1.00 0.00 N ATOM 1043 CA GLY A 67 2.963 4.109 -1.920 1.00 0.00 C ATOM 1044 C GLY A 67 1.966 3.116 -2.515 1.00 0.00 C ATOM 1045 O GLY A 67 2.314 2.265 -3.311 1.00 0.00 O ATOM 0 H GLY A 67 4.328 3.475 -3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.206 3.811 -0.900 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.502 5.095 -1.863 1.00 0.00 H new ATOM 1049 N ASP A 68 0.740 3.279 -2.092 1.00 0.00 N ATOM 1050 CA ASP A 68 -0.362 2.355 -2.509 1.00 0.00 C ATOM 1051 C ASP A 68 -1.396 3.138 -3.321 1.00 0.00 C ATOM 1052 O ASP A 68 -1.387 4.354 -3.333 1.00 0.00 O ATOM 1053 CB ASP A 68 -1.016 1.753 -1.243 1.00 0.00 C ATOM 1054 CG ASP A 68 -0.859 0.223 -1.296 1.00 0.00 C ATOM 1055 OD1 ASP A 68 -1.732 -0.397 -1.881 1.00 0.00 O ATOM 1056 OD2 ASP A 68 0.127 -0.240 -0.751 1.00 0.00 O ATOM 0 H ASP A 68 0.448 4.027 -1.463 1.00 0.00 H new ATOM 0 HA ASP A 68 0.033 1.548 -3.127 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.543 2.152 -0.346 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.071 2.025 -1.195 1.00 0.00 H new ATOM 1061 N PHE A 69 -2.256 2.404 -3.976 1.00 0.00 N ATOM 1062 CA PHE A 69 -3.337 3.034 -4.796 1.00 0.00 C ATOM 1063 C PHE A 69 -4.433 1.989 -5.084 1.00 0.00 C ATOM 1064 O PHE A 69 -4.107 0.845 -5.340 1.00 0.00 O ATOM 1065 CB PHE A 69 -2.724 3.565 -6.123 1.00 0.00 C ATOM 1066 CG PHE A 69 -2.163 2.406 -6.977 1.00 0.00 C ATOM 1067 CD1 PHE A 69 -0.971 1.792 -6.634 1.00 0.00 C ATOM 1068 CD2 PHE A 69 -2.846 1.966 -8.097 1.00 0.00 C ATOM 1069 CE1 PHE A 69 -0.475 0.757 -7.397 1.00 0.00 C ATOM 1070 CE2 PHE A 69 -2.348 0.931 -8.860 1.00 0.00 C ATOM 1071 CZ PHE A 69 -1.162 0.325 -8.509 1.00 0.00 C ATOM 0 H PHE A 69 -2.257 1.384 -3.979 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.784 3.868 -4.255 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.484 4.103 -6.689 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.928 4.276 -5.901 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.426 2.126 -5.763 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.777 2.437 -8.376 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.456 0.283 -7.122 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.888 0.595 -9.733 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.772 -0.487 -9.105 1.00 0.00 H new ATOM 1081 N PRO A 70 -5.690 2.378 -5.035 1.00 0.00 N ATOM 1082 CA PRO A 70 -6.805 1.480 -5.431 1.00 0.00 C ATOM 1083 C PRO A 70 -6.730 1.087 -6.920 1.00 0.00 C ATOM 1084 O PRO A 70 -5.990 1.677 -7.681 1.00 0.00 O ATOM 1085 CB PRO A 70 -8.100 2.239 -5.111 1.00 0.00 C ATOM 1086 CG PRO A 70 -7.690 3.620 -4.528 1.00 0.00 C ATOM 1087 CD PRO A 70 -6.151 3.722 -4.589 1.00 0.00 C ATOM 0 HA PRO A 70 -6.755 0.539 -4.884 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.705 2.365 -6.009 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.705 1.683 -4.395 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.149 4.427 -5.099 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.039 3.719 -3.500 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.835 4.498 -5.286 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.734 3.979 -3.615 1.00 0.00 H new ATOM 1095 N GLY A 71 -7.512 0.096 -7.271 1.00 0.00 N ATOM 1096 CA GLY A 71 -7.513 -0.446 -8.665 1.00 0.00 C ATOM 1097 C GLY A 71 -8.750 0.033 -9.428 1.00 0.00 C ATOM 1098 O GLY A 71 -9.422 -0.766 -10.055 1.00 0.00 O ATOM 0 H GLY A 71 -8.162 -0.369 -6.637 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.611 -0.126 -9.186 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.495 -1.536 -8.637 1.00 0.00 H new ATOM 1102 N THR A 72 -9.011 1.317 -9.352 1.00 0.00 N ATOM 1103 CA THR A 72 -10.223 1.894 -10.020 1.00 0.00 C ATOM 1104 C THR A 72 -9.932 3.229 -10.710 1.00 0.00 C ATOM 1105 O THR A 72 -10.577 3.578 -11.680 1.00 0.00 O ATOM 1106 CB THR A 72 -11.323 2.058 -8.941 1.00 0.00 C ATOM 1107 OG1 THR A 72 -12.430 2.699 -9.569 1.00 0.00 O ATOM 1108 CG2 THR A 72 -10.889 3.010 -7.792 1.00 0.00 C ATOM 0 H THR A 72 -8.434 1.994 -8.853 1.00 0.00 H new ATOM 0 HA THR A 72 -10.552 1.217 -10.808 1.00 0.00 H new ATOM 0 HB THR A 72 -11.542 1.072 -8.531 1.00 0.00 H new ATOM 0 HG1 THR A 72 -13.151 2.820 -8.917 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.695 3.091 -7.062 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.998 2.612 -7.306 1.00 0.00 H new ATOM 0 HG23 THR A 72 -10.669 3.996 -8.200 1.00 0.00 H new ATOM 1116 N TYR A 73 -8.967 3.922 -10.184 1.00 0.00 N ATOM 1117 CA TYR A 73 -8.586 5.259 -10.746 1.00 0.00 C ATOM 1118 C TYR A 73 -7.496 5.115 -11.813 1.00 0.00 C ATOM 1119 O TYR A 73 -7.040 6.098 -12.368 1.00 0.00 O ATOM 1120 CB TYR A 73 -8.094 6.151 -9.595 1.00 0.00 C ATOM 1121 CG TYR A 73 -9.288 6.530 -8.707 1.00 0.00 C ATOM 1122 CD1 TYR A 73 -10.230 7.443 -9.142 1.00 0.00 C ATOM 1123 CD2 TYR A 73 -9.435 5.963 -7.457 1.00 0.00 C ATOM 1124 CE1 TYR A 73 -11.299 7.781 -8.338 1.00 0.00 C ATOM 1125 CE2 TYR A 73 -10.501 6.300 -6.653 1.00 0.00 C ATOM 1126 CZ TYR A 73 -11.441 7.212 -7.088 1.00 0.00 C ATOM 1127 OH TYR A 73 -12.508 7.551 -6.280 1.00 0.00 O ATOM 0 H TYR A 73 -8.415 3.623 -9.380 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.455 5.712 -11.223 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.341 5.626 -9.008 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.620 7.049 -9.991 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.129 7.895 -10.118 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.706 5.247 -7.106 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.029 8.495 -8.689 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.602 5.848 -5.677 1.00 0.00 H new ATOM 0 HH TYR A 73 -12.451 7.055 -5.437 1.00 0.00 H new ATOM 1137 N VAL A 74 -7.123 3.887 -12.065 1.00 0.00 N ATOM 1138 CA VAL A 74 -6.014 3.580 -13.016 1.00 0.00 C ATOM 1139 C VAL A 74 -6.504 2.545 -14.033 1.00 0.00 C ATOM 1140 O VAL A 74 -7.667 2.186 -14.046 1.00 0.00 O ATOM 1141 CB VAL A 74 -4.803 3.045 -12.192 1.00 0.00 C ATOM 1142 CG1 VAL A 74 -4.413 4.078 -11.074 1.00 0.00 C ATOM 1143 CG2 VAL A 74 -5.164 1.658 -11.553 1.00 0.00 C ATOM 0 H VAL A 74 -7.552 3.065 -11.640 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.701 4.469 -13.564 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.949 2.914 -12.857 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.566 3.695 -10.504 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.141 5.027 -11.535 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.261 4.229 -10.406 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.314 1.290 -10.979 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.024 1.774 -10.894 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.405 0.946 -12.342 1.00 0.00 H new ATOM 1153 N GLU A 75 -5.592 2.100 -14.857 1.00 0.00 N ATOM 1154 CA GLU A 75 -5.910 1.010 -15.824 1.00 0.00 C ATOM 1155 C GLU A 75 -4.651 0.197 -16.112 1.00 0.00 C ATOM 1156 O GLU A 75 -3.633 0.762 -16.461 1.00 0.00 O ATOM 1157 CB GLU A 75 -6.456 1.643 -17.128 1.00 0.00 C ATOM 1158 CG GLU A 75 -7.688 0.861 -17.627 1.00 0.00 C ATOM 1159 CD GLU A 75 -7.280 -0.599 -17.920 1.00 0.00 C ATOM 1160 OE1 GLU A 75 -6.751 -0.800 -19.001 1.00 0.00 O ATOM 1161 OE2 GLU A 75 -7.514 -1.429 -17.054 1.00 0.00 O ATOM 0 H GLU A 75 -4.634 2.448 -14.901 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.663 0.343 -15.404 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.725 2.684 -16.950 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.680 1.641 -17.894 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.478 0.886 -16.876 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.089 1.327 -18.527 1.00 0.00 H new ATOM 1168 N TYR A 76 -4.742 -1.101 -15.969 1.00 0.00 N ATOM 1169 CA TYR A 76 -3.581 -1.974 -16.315 1.00 0.00 C ATOM 1170 C TYR A 76 -3.230 -1.803 -17.798 1.00 0.00 C ATOM 1171 O TYR A 76 -4.102 -1.824 -18.644 1.00 0.00 O ATOM 1172 CB TYR A 76 -3.960 -3.443 -16.002 1.00 0.00 C ATOM 1173 CG TYR A 76 -3.041 -4.400 -16.760 1.00 0.00 C ATOM 1174 CD1 TYR A 76 -1.767 -4.669 -16.308 1.00 0.00 C ATOM 1175 CD2 TYR A 76 -3.495 -5.009 -17.912 1.00 0.00 C ATOM 1176 CE1 TYR A 76 -0.956 -5.537 -17.003 1.00 0.00 C ATOM 1177 CE2 TYR A 76 -2.688 -5.877 -18.605 1.00 0.00 C ATOM 1178 CZ TYR A 76 -1.414 -6.148 -18.158 1.00 0.00 C ATOM 1179 OH TYR A 76 -0.626 -7.028 -18.867 1.00 0.00 O ATOM 0 H TYR A 76 -5.568 -1.592 -15.628 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.706 -1.696 -15.727 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.882 -3.625 -14.930 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.997 -3.626 -16.282 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.404 -4.198 -15.407 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -4.492 -4.801 -18.271 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.042 -5.743 -16.646 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -3.054 -6.349 -19.505 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.121 -7.355 -19.647 1.00 0.00 H new ATOM 1189 N ILE A 77 -1.957 -1.642 -18.054 1.00 0.00 N ATOM 1190 CA ILE A 77 -1.471 -1.550 -19.466 1.00 0.00 C ATOM 1191 C ILE A 77 -0.848 -2.875 -19.901 1.00 0.00 C ATOM 1192 O ILE A 77 -1.323 -3.485 -20.841 1.00 0.00 O ATOM 1193 CB ILE A 77 -0.420 -0.394 -19.590 1.00 0.00 C ATOM 1194 CG1 ILE A 77 0.400 -0.197 -18.279 1.00 0.00 C ATOM 1195 CG2 ILE A 77 -1.151 0.935 -19.923 1.00 0.00 C ATOM 1196 CD1 ILE A 77 1.688 0.587 -18.587 1.00 0.00 C ATOM 0 H ILE A 77 -1.229 -1.570 -17.343 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.318 -1.335 -20.118 1.00 0.00 H new ATOM 0 HB ILE A 77 0.273 -0.670 -20.385 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.197 0.340 -17.542 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.647 -1.165 -17.844 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.421 1.740 -20.010 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.688 0.829 -20.866 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.858 1.170 -19.128 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.259 0.723 -17.669 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.288 0.032 -19.309 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.430 1.561 -19.002 1.00 0.00 H new ATOM 1208 N GLY A 78 0.188 -3.288 -19.216 1.00 0.00 N ATOM 1209 CA GLY A 78 1.073 -4.345 -19.779 1.00 0.00 C ATOM 1210 C GLY A 78 1.863 -4.991 -18.658 1.00 0.00 C ATOM 1211 O GLY A 78 2.205 -4.362 -17.673 1.00 0.00 O ATOM 0 H GLY A 78 0.456 -2.939 -18.296 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.477 -5.096 -20.298 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.751 -3.913 -20.515 1.00 0.00 H new ATOM 1215 N ARG A 79 2.118 -6.250 -18.880 1.00 0.00 N ATOM 1216 CA ARG A 79 2.995 -7.035 -17.966 1.00 0.00 C ATOM 1217 C ARG A 79 4.078 -7.759 -18.781 1.00 0.00 C ATOM 1218 O ARG A 79 3.793 -8.438 -19.748 1.00 0.00 O ATOM 1219 CB ARG A 79 2.080 -8.029 -17.145 1.00 0.00 C ATOM 1220 CG ARG A 79 1.957 -9.461 -17.731 1.00 0.00 C ATOM 1221 CD ARG A 79 1.221 -9.449 -19.085 1.00 0.00 C ATOM 1222 NE ARG A 79 1.883 -10.443 -19.984 1.00 0.00 N ATOM 1223 CZ ARG A 79 1.176 -11.226 -20.753 1.00 0.00 C ATOM 1224 NH1 ARG A 79 0.275 -10.705 -21.540 1.00 0.00 N ATOM 1225 NH2 ARG A 79 1.401 -12.509 -20.703 1.00 0.00 N ATOM 0 H ARG A 79 1.749 -6.778 -19.671 1.00 0.00 H new ATOM 0 HA ARG A 79 3.517 -6.388 -17.261 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.472 -8.103 -16.131 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.081 -7.599 -17.070 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.950 -9.891 -17.858 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.421 -10.099 -17.029 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.169 -9.701 -18.948 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.255 -8.454 -19.528 1.00 0.00 H new ATOM 0 HE ARG A 79 2.901 -10.510 -19.997 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.129 -9.696 -21.550 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.283 -11.307 -22.145 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.115 -12.878 -20.074 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.863 -13.144 -21.293 1.00 0.00 H new ATOM 1239 N LYS A 80 5.306 -7.589 -18.368 1.00 0.00 N ATOM 1240 CA LYS A 80 6.447 -8.304 -19.046 1.00 0.00 C ATOM 1241 C LYS A 80 6.665 -9.707 -18.461 1.00 0.00 C ATOM 1242 O LYS A 80 7.758 -10.244 -18.474 1.00 0.00 O ATOM 1243 CB LYS A 80 7.724 -7.469 -18.878 1.00 0.00 C ATOM 1244 CG LYS A 80 7.457 -6.019 -19.329 1.00 0.00 C ATOM 1245 CD LYS A 80 8.580 -5.485 -20.267 1.00 0.00 C ATOM 1246 CE LYS A 80 9.996 -5.642 -19.653 1.00 0.00 C ATOM 1247 NZ LYS A 80 10.708 -6.785 -20.295 1.00 0.00 N ATOM 0 H LYS A 80 5.577 -6.987 -17.590 1.00 0.00 H new ATOM 0 HA LYS A 80 6.203 -8.421 -20.102 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.045 -7.483 -17.837 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.533 -7.901 -19.467 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.499 -5.971 -19.846 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.379 -5.375 -18.453 1.00 0.00 H new ATOM 0 HD2 LYS A 80 8.539 -6.018 -21.217 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.397 -4.433 -20.484 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.566 -4.723 -19.793 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.919 -5.809 -18.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.113 -7.399 -19.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.037 -7.332 -20.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.470 -6.422 -20.902 1.00 0.00 H new ATOM 1261 N LYS A 81 5.576 -10.239 -17.971 1.00 0.00 N ATOM 1262 CA LYS A 81 5.537 -11.483 -17.152 1.00 0.00 C ATOM 1263 C LYS A 81 6.581 -11.493 -16.020 1.00 0.00 C ATOM 1264 O LYS A 81 7.257 -10.512 -15.765 1.00 0.00 O ATOM 1265 CB LYS A 81 5.741 -12.657 -18.127 1.00 0.00 C ATOM 1266 CG LYS A 81 4.409 -12.994 -18.835 1.00 0.00 C ATOM 1267 CD LYS A 81 4.665 -13.739 -20.169 1.00 0.00 C ATOM 1268 CE LYS A 81 5.554 -14.983 -19.947 1.00 0.00 C ATOM 1269 NZ LYS A 81 5.428 -15.904 -21.111 1.00 0.00 N ATOM 0 H LYS A 81 4.653 -9.830 -18.118 1.00 0.00 H new ATOM 0 HA LYS A 81 4.578 -11.559 -16.639 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.500 -12.399 -18.866 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.106 -13.530 -17.586 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.791 -13.611 -18.182 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.852 -12.077 -19.027 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.715 -14.041 -20.609 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.146 -13.066 -20.879 1.00 0.00 H new ATOM 0 HE2 LYS A 81 6.594 -14.681 -19.821 1.00 0.00 H new ATOM 0 HE3 LYS A 81 5.257 -15.495 -19.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.027 -16.740 -20.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.437 -16.202 -21.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.732 -15.413 -21.976 1.00 0.00 H new ATOM 1283 N ILE A 82 6.676 -12.619 -15.367 1.00 0.00 N ATOM 1284 CA ILE A 82 7.760 -12.835 -14.361 1.00 0.00 C ATOM 1285 C ILE A 82 9.012 -13.430 -15.041 1.00 0.00 C ATOM 1286 O ILE A 82 10.054 -13.531 -14.419 1.00 0.00 O ATOM 1287 CB ILE A 82 7.197 -13.790 -13.271 1.00 0.00 C ATOM 1288 CG1 ILE A 82 5.870 -13.202 -12.667 1.00 0.00 C ATOM 1289 CG2 ILE A 82 8.234 -13.985 -12.125 1.00 0.00 C ATOM 1290 CD1 ILE A 82 4.749 -14.263 -12.678 1.00 0.00 C ATOM 0 H ILE A 82 6.042 -13.409 -15.488 1.00 0.00 H new ATOM 0 HA ILE A 82 8.065 -11.892 -13.906 1.00 0.00 H new ATOM 0 HB ILE A 82 6.992 -14.753 -13.738 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.048 -12.864 -11.646 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.558 -12.330 -13.242 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.822 -14.656 -11.372 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.150 -14.414 -12.532 1.00 0.00 H new ATOM 0 HG23 ILE A 82 8.457 -13.021 -11.668 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.839 -13.836 -12.256 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.559 -14.581 -13.703 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.056 -15.123 -12.083 1.00 0.00 H new ATOM 1302 N SER A 83 8.874 -13.797 -16.295 1.00 0.00 N ATOM 1303 CA SER A 83 9.977 -14.520 -17.020 1.00 0.00 C ATOM 1304 C SER A 83 10.159 -13.898 -18.431 1.00 0.00 C ATOM 1305 O SER A 83 9.292 -13.180 -18.893 1.00 0.00 O ATOM 1306 CB SER A 83 9.583 -16.048 -17.071 1.00 0.00 C ATOM 1307 OG SER A 83 9.431 -16.447 -18.431 1.00 0.00 O ATOM 0 H SER A 83 8.038 -13.626 -16.854 1.00 0.00 H new ATOM 0 HA SER A 83 10.936 -14.424 -16.511 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.351 -16.650 -16.586 1.00 0.00 H new ATOM 0 HB3 SER A 83 8.655 -16.215 -16.524 1.00 0.00 H new ATOM 0 HG SER A 83 9.188 -17.396 -18.468 1.00 0.00 H new ATOM 1313 N PRO A 84 11.268 -14.187 -19.081 1.00 0.00 N ATOM 1314 CA PRO A 84 11.454 -13.834 -20.514 1.00 0.00 C ATOM 1315 C PRO A 84 10.350 -14.403 -21.419 1.00 0.00 C ATOM 1316 O PRO A 84 9.920 -15.506 -21.141 1.00 0.00 O ATOM 1317 CB PRO A 84 12.841 -14.363 -20.901 1.00 0.00 C ATOM 1318 CG PRO A 84 13.447 -15.047 -19.644 1.00 0.00 C ATOM 1319 CD PRO A 84 12.448 -14.876 -18.482 1.00 0.00 C ATOM 1320 OXT PRO A 84 9.991 -13.692 -22.341 1.00 0.00 O ATOM 0 HA PRO A 84 11.385 -12.755 -20.652 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.765 -15.073 -21.725 1.00 0.00 H new ATOM 0 HB3 PRO A 84 13.481 -13.549 -21.241 1.00 0.00 H new ATOM 0 HG2 PRO A 84 13.631 -16.104 -19.836 1.00 0.00 H new ATOM 0 HG3 PRO A 84 14.407 -14.597 -19.391 1.00 0.00 H new ATOM 0 HD2 PRO A 84 12.168 -15.840 -18.058 1.00 0.00 H new ATOM 0 HD3 PRO A 84 12.881 -14.286 -17.674 1.00 0.00 H new TER 1328 PRO A 84